bis(3-piperidin-1-ium-1-ylpropyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Systemtic Name: bis(3-piperidin-1-ium-1-ylpropyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Openeye Name: bis(3-piperidin-1-ium-1-ylpropyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-piperidin-1-iumyl)propyl] ester diiodide IUPAC Name: bis(3-piperidin-1-ium-1-ylpropyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis(3-piperidin-1-ium-1-ylpropyl) ester diiodide Formula: C34H48I2N2O4 MolecularWeight: 802.56486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[NH+]4CCCCC4)C5=CC=CC=C5.[I-].[I-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[NH+]4CCCCC4)C5=CC=CC=C5.[I-].[I-]

InChI

InChI=1S/C34H46N2O4.2HI/c37-33(39-25-13-23-35-19-9-3-10-20-35)31-29(27-15-5-1-6-16-27)32(30(31)28-17-7-2-8-18-28)34(38)40-26-14-24-36-21-11-4-12-22-36;;/h1-2,5-8,15-18,29-32H,3-4,9-14,19-26H2;2*1H